CID 495404

Nsc653479

Structural Information

Molecular Formula
C11H15N5O3
SMILES
CO[C@@H]1C[C@H](O[C@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5O3/c1-18-6-2-8(19-7(6)3-17)16-5-15-9-10(12)13-4-14-11(9)16/h4-8,17H,2-3H2,1H3,(H2,12,13,14)/t6-,7+,8+/m1/s1
InChIKey
FFTJWXISNILIOL-CSMHCCOUSA-N
Compound name
[(2S,3R,5S)-5-(6-aminopurin-9-yl)-3-methoxyoxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1175 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 157.4
[M+Na]+ 288.10672 167.4
[M-H]- 264.11022 160.1
[M+NH4]+ 283.15132 171.0
[M+K]+ 304.08066 165.0
[M+H-H2O]+ 248.11476 148.8
[M+HCOO]- 310.11570 175.9
[M+CH3COO]- 324.13135 169.0
[M+Na-2H]- 286.09217 160.0
[M]+ 265.11695 159.5
[M]- 265.11805 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.